4-(4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate
4-(4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 5248-0125 |
| Compound Name: | 4-(4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C21 H18 N2 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(=NC(c3ccc(cc3)OC(c3cccs3)=O)Nc1s2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7467 |
| logD: | 4.7358 |
| logSw: | -4.6236 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.005 |
| InChI Key: | INICUJHVNHEHGD-GOSISDBHSA-N |